ethyl 4-[2-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-chloro-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-chloro-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26ClN3O5S/c1-3-31-22(28)25-13-11-24(12-14-25)21(27)16-26(19-6-4-5-18(23)15-19)32(29,30)20-9-7-17(2)8-10-20/h4-10,15H,3,11-14,16H2,1-2H3